ethyl 7-[[5-(2-chloranylphenoxy)-4-oxidanyl-pentyl]-methylsulfonyl-amino]heptanoate

Systemtic Name: ethyl 7-[[5-(2-chloranylphenoxy)-4-oxidanyl-pentyl]-methylsulfonyl-amino]heptanoate Openeye Name: ethyl 7-[[5-(2-chlorophenoxy)-4-hydroxy-pentyl]-methylsulfonyl-amino]heptanoate CAS Name: 7-[[5-(2-chlorophenoxy)-4-hydroxypentyl]-methylsulfonylamino]heptanoic acid ethyl ester IUPAC Name: ethyl 7-[[5-(2-chlorophenoxy)-4-hydroxypentyl]-methylsulfonylamino]heptanoate Traditional Name: 7-[[5-(2-chlorophenoxy)-4-hydroxy-pentyl]-mesyl-amino]enanthic acid ethyl ester Formula: C21H34ClNO6S MolecularWeight: 464.01576

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCCCCN(CCCC(COC1=CC=CC=C1Cl)O)S(=O)(=O)C

Isomeric SMILES

CCOC(=O)CCCCCCN(CCCC(COC1=CC=CC=C1Cl)O)S(=O)(=O)C

InChI

InChI=1S/C21H34ClNO6S/c1-3-28-21(25)14-6-4-5-9-15-23(30(2,26)27)16-10-11-18(24)17-29-20-13-8-7-12-19(20)22/h7-8,12-13,18,24H,3-6,9-11,14-17H2,1-2H3